CID 20111767

1,2,3-propanetriol, diacetate propanoate

Structural Information

Molecular Formula
C10H16O6
SMILES
CCC(=O)OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C10H16O6/c1-4-10(13)15-6-9(16-8(3)12)5-14-7(2)11/h9H,4-6H2,1-3H3
InChIKey
LVONJPHZHFUJEU-UHFFFAOYSA-N
Compound name
2,3-diacetyloxypropyl propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

232.09468 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10196 150.0
[M+Na]+ 255.08390 155.6
[M-H]- 231.08740 149.9
[M+NH4]+ 250.12850 167.7
[M+K]+ 271.05784 157.4
[M+H-H2O]+ 215.09194 144.5
[M+HCOO]- 277.09288 170.7
[M+CH3COO]- 291.10853 190.0
[M+Na-2H]- 253.06935 150.4
[M]+ 232.09413 156.7
[M]- 232.09523 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe